2,2-difluoro-1,3-dimethylimidazole

C5H8F2N2 — CID 54543701

IUPAC2,2-difluoro-1,3-dimethylimidazole
SMILESCN1C=CN(C)C1(F)F
InChIInChI=1S/C5H8F2N2/c1-8-3-4-9(2)5(8,6)7/h3-4H,1-2H3
InChIKeyZFBCURASAUHROS-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.89
Rot. Bonds

About 2,2-difluoro-1,3-dimethylimidazole

2,2-difluoro-1,3-dimethylimidazole (PubChem CID 54543701) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 2,2-difluoro-1,3-dimethylimidazole.

Molecular Properties

Compound Name2,2-difluoro-1,3-dimethylimidazole
PubChem CID54543701
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name2,2-difluoro-1,3-dimethylimidazole
SMILESCN1C=CN(C)C1(F)F
InChIInChI=1S/C5H8F2N2/c1-8-3-4-9(2)5(8,6)7/h3-4H,1-2H3
InChIKeyZFBCURASAUHROS-UHFFFAOYSA-N
XLogP0.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3-dimethylimidazole?
The IUPAC name of 2,2-difluoro-1,3-dimethylimidazole (CID 54543701) is 2,2-difluoro-1,3-dimethylimidazole.
What is the SMILES notation for 2,2-difluoro-1,3-dimethylimidazole?
The canonical SMILES for 2,2-difluoro-1,3-dimethylimidazole is CN1C=CN(C)C1(F)F.
What is the InChIKey of 2,2-difluoro-1,3-dimethylimidazole?
The InChIKey is ZFBCURASAUHROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N2/c1-8-3-4-9(2)5(8,6)7/h3-4H,1-2H3.
What are the key properties of 2,2-difluoro-1,3-dimethylimidazole?
2,2-difluoro-1,3-dimethylimidazole has a molecular weight of 134.13 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-dimethylimidazole is sourced from PubChem (CID 54543701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).